CID 112052

10486-25-6

Structural Information

Molecular Formula
C16H24O2
SMILES
CC1CC(C=C(C2C1CC(=C(C)C)C2)C)OC=O
InChI
InChI=1S/C16H24O2/c1-10(2)13-7-15-11(3)5-14(18-9-17)6-12(4)16(15)8-13/h5,9,12,14-16H,6-8H2,1-4H3
InChIKey
DMDRCZJUQQXMNF-UHFFFAOYSA-N
Compound name
(4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-yl) formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.17763 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.184906 155.5
[M+Na]+ 271.166848 160.5
[M-H]- 247.170354 160.8
[M+NH4]+ 266.211453 175.0
[M+K]+ 287.140788 160.9
[M+H-H2O]+ 231.174890 151.5
[M+HCOO]- 293.175831 173.2
[M+CH3COO]- 307.191481 198.9
[M+Na-2H]- 269.152296 154.1
[M]+ 248.17708142 152.2
[M]- 248.17817858 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.